CID 25058173

138026-71-8

Structural Information

Molecular Formula
C9H7BF2N2
SMILES
[B-]1(N2C=CC=C2C=C3[N+]1=CC=C3)(F)F
InChI
InChI=1S/C9H7BF2N2/c11-10(12)13-5-1-3-8(13)7-9-4-2-6-14(9)10/h1-7H
InChIKey
GUHHEAYOTAJBPT-UHFFFAOYSA-N
Compound name
2,2-difluoro-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

2758
References

12390
Patents

192.06703 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07431 134.1
[M+Na]+ 215.05625 145.9
[M-H]- 191.05975 134.3
[M+NH4]+ 210.10085 157.9
[M+K]+ 231.03019 136.4
[M+H-H2O]+ 175.06429 130.9
[M+HCOO]- 237.06523 154.2
[M+CH3COO]- 251.08088 172.6
[M+Na-2H]- 213.04170 142.5
[M]+ 192.06648 129.6
[M]- 192.06758 129.6
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