CID 70830415

(2-bromo-4,5-difluorophenyl)methanamine

Structural Information

Molecular Formula
C7H6BrF2N
SMILES
C1=C(C(=CC(=C1F)F)Br)CN
InChI
InChI=1S/C7H6BrF2N/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H,3,11H2
InChIKey
VYDLKZNPIWEINA-UHFFFAOYSA-N
Compound name
(2-bromo-4,5-difluorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

220.96516 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.97244 142.3
[M+Na]+ 243.95438 144.9
[M+NH4]+ 238.99898 146.6
[M+K]+ 259.92832 144.2
[M-H]- 219.95788 141.4
[M+Na-2H]- 241.93983 144.8
[M]+ 220.96461 141.2
[M]- 220.96571 141.2
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