CID 14557536

2-amino-2-(3-bromophenyl)acetonitrile

Structural Information

Molecular Formula
C8H7BrN2
SMILES
C1=CC(=CC(=C1)Br)C(C#N)N
InChI
InChI=1S/C8H7BrN2/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8H,11H2
InChIKey
ZJTSSLCMKVEGLB-UHFFFAOYSA-N
Compound name
2-amino-2-(3-bromophenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

209.97926 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.98654 137.3
[M+Na]+ 232.96848 149.9
[M-H]- 208.97198 141.3
[M+NH4]+ 228.01308 156.7
[M+K]+ 248.94242 138.2
[M+H-H2O]+ 192.97652 130.1
[M+HCOO]- 254.97746 157.5
[M+CH3COO]- 268.99311 197.4
[M+Na-2H]- 230.95393 143.5
[M]+ 209.97871 146.8
[M]- 209.97981 146.8
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