CID 24903091

4-bromo-2-(isopropylamino)benzonitrile

Structural Information

Molecular Formula
C10H11BrN2
SMILES
CC(C)NC1=C(C=CC(=C1)Br)C#N
InChI
InChI=1S/C10H11BrN2/c1-7(2)13-10-5-9(11)4-3-8(10)6-12/h3-5,7,13H,1-2H3
InChIKey
YQVAKTNKNMKYEC-UHFFFAOYSA-N
Compound name
4-bromo-2-(propan-2-ylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

238.01056 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.01784 143.7
[M+Na]+ 260.99978 156.3
[M-H]- 237.00328 148.2
[M+NH4]+ 256.04438 162.7
[M+K]+ 276.97372 144.6
[M+H-H2O]+ 221.00782 136.4
[M+HCOO]- 283.00876 163.9
[M+CH3COO]- 297.02441 204.0
[M+Na-2H]- 258.98523 149.4
[M]+ 238.01001 155.0
[M]- 238.01111 155.0
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