CID 43436633

2-(2,5-difluorophenyl)-2-hydroxyacetonitrile

Structural Information

Molecular Formula
C8H5F2NO
SMILES
C1=CC(=C(C=C1F)C(C#N)O)F
InChI
InChI=1S/C8H5F2NO/c9-5-1-2-7(10)6(3-5)8(12)4-11/h1-3,8,12H
InChIKey
TYDCXXJFXNZRRL-UHFFFAOYSA-N
Compound name
2-(2,5-difluorophenyl)-2-hydroxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.03392 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04120 129.2
[M+Na]+ 192.02314 140.0
[M-H]- 168.02664 129.4
[M+NH4]+ 187.06774 147.2
[M+K]+ 207.99708 136.8
[M+H-H2O]+ 152.03118 116.2
[M+HCOO]- 214.03212 146.5
[M+CH3COO]- 228.04777 190.1
[M+Na-2H]- 190.00859 133.5
[M]+ 169.03337 121.3
[M]- 169.03447 121.3
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

No patent data available for this compound.