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

41
Patents

209.97926 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.986536 137.3
[M+Na]+ 232.968478 149.9
[M-H]- 208.971984 141.3
[M+NH4]+ 228.013083 156.7
[M+K]+ 248.942418 138.2
[M+H-H2O]+ 192.976520 130.1
[M+HCOO]- 254.977461 157.5
[M+CH3COO]- 268.993111 197.4
[M+Na-2H]- 230.953926 143.5
[M]+ 209.97871142 146.8
[M]- 209.97980858 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