CID 14766994

131083-16-4

Structural Information

Molecular Formula
C18H25BF2N2
SMILES
[B-]1(N2C(=C(C(=C2C(=C3[N+]1=C(C(=C3C)CC)C)C)C)CC)C)(F)F
InChI
InChI=1S/C18H25BF2N2/c1-8-15-10(3)17-12(5)18-11(4)16(9-2)14(7)23(18)19(20,21)22(17)13(15)6/h8-9H2,1-7H3
InChIKey
DZSMVBDAUBBZJD-UHFFFAOYSA-N
Compound name
5,11-diethyl-2,2-difluoro-4,6,8,10,12-pentamethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

24
Patents

318.2079 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21518 174.3
[M+Na]+ 341.19712 188.1
[M-H]- 317.20062 175.3
[M+NH4]+ 336.24172 195.0
[M+K]+ 357.17106 176.3
[M+H-H2O]+ 301.20516 172.2
[M+HCOO]- 363.20610 190.8
[M+CH3COO]- 377.22175 207.2
[M+Na-2H]- 339.18257 173.9
[M]+ 318.20735 175.2
[M]- 318.20845 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe