CID 75341

3-bromo-4-hydroxybenzonitrile

Structural Information

Molecular Formula
C7H4BrNO
SMILES
C1=CC(=C(C=C1C#N)Br)O
InChI
InChI=1S/C7H4BrNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H
InChIKey
HLHNOIAOWQFNGW-UHFFFAOYSA-N
Compound name
3-bromo-4-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1916
Patents

196.94763 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.95491 129.1
[M+Na]+ 219.93685 143.7
[M-H]- 195.94035 133.2
[M+NH4]+ 214.98145 149.5
[M+K]+ 235.91079 132.1
[M+H-H2O]+ 179.94489 123.3
[M+HCOO]- 241.94583 149.4
[M+CH3COO]- 255.96148 191.1
[M+Na-2H]- 217.92230 137.0
[M]+ 196.94708 140.6
[M]- 196.94818 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe