CID 75486704

2377611-98-6

Structural Information

Molecular Formula
C13H19BFNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)NC)F
InChI
InChI=1S/C13H19BFNO2/c1-12(2)13(3,4)18-14(17-12)9-6-7-11(16-5)10(15)8-9/h6-8,16H,1-5H3
InChIKey
JVGMPYIVZLFBDZ-UHFFFAOYSA-N
Compound name
2-fluoro-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

251.14929 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15657 151.5
[M+Na]+ 274.13851 161.2
[M-H]- 250.14201 159.3
[M+NH4]+ 269.18311 172.4
[M+K]+ 290.11245 160.8
[M+H-H2O]+ 234.14655 146.3
[M+HCOO]- 296.14749 172.5
[M+CH3COO]- 310.16314 197.7
[M+Na-2H]- 272.12396 157.0
[M]+ 251.14874 153.3
[M]- 251.14984 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe