CID 167734508

2,2-difluoro-1-hydroxycyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C4H3F2NO
SMILES
C1C(C1(F)F)(C#N)O
InChI
InChI=1S/C4H3F2NO/c5-4(6)1-3(4,8)2-7/h8H,1H2
InChIKey
OLBIFLVJORKUAW-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-hydroxycyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

119.01827 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.025546 110.7
[M+Na]+ 142.007488 128.3
[M-H]- 118.010994 115.0
[M+NH4]+ 137.052093 131.4
[M+K]+ 157.981428 123.6
[M+H-H2O]+ 102.015530 103.2
[M+HCOO]- 164.016471 130.4
[M+CH3COO]- 178.032121 183.2
[M+Na-2H]- 139.992936 121.2
[M]+ 119.01772142 108.3
[M]- 119.01881858 108.3
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.