CID 4407995

2-chloro-6-hydroxybenzonitrile

Structural Information

Molecular Formula
C7H4ClNO
SMILES
C1=CC(=C(C(=C1)Cl)C#N)O
InChI
InChI=1S/C7H4ClNO/c8-6-2-1-3-7(10)5(6)4-9/h1-3,10H
InChIKey
QAZAWPCTVDEZCT-UHFFFAOYSA-N
Compound name
2-chloro-6-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

152.99814 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.00542 128.1
[M+Na]+ 175.98736 140.7
[M-H]- 151.99086 131.0
[M+NH4]+ 171.03196 147.9
[M+K]+ 191.96130 135.9
[M+H-H2O]+ 135.99540 118.0
[M+HCOO]- 197.99634 144.5
[M+CH3COO]- 212.01199 185.2
[M+Na-2H]- 173.97281 134.7
[M]+ 152.99759 124.5
[M]- 152.99869 124.5
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