CID 23148958

3,5-difluoro-2-hydroxybenzonitrile

Structural Information

Molecular Formula
C7H3F2NO
SMILES
C1=C(C=C(C(=C1C#N)O)F)F
InChI
InChI=1S/C7H3F2NO/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2,11H
InChIKey
QSUYDDDUPBMYHN-UHFFFAOYSA-N
Compound name
3,5-difluoro-2-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

155.01826 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.025536 123.3
[M+Na]+ 178.007478 135.6
[M-H]- 154.010984 124.0
[M+NH4]+ 173.052083 142.2
[M+K]+ 193.981418 132.4
[M+H-H2O]+ 138.015520 110.8
[M+HCOO]- 200.016461 142.0
[M+CH3COO]- 214.032111 187.7
[M+Na-2H]- 175.992926 128.8
[M]+ 155.01771142 116.1
[M]- 155.01880858 116.1
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