CID 67897

Chlorodifluoroacetonitrile

Structural Information

Molecular Formula
C2ClF2N
SMILES
C(#N)C(F)(F)Cl
InChI
InChI=1S/C2ClF2N/c3-2(4,5)1-6
InChIKey
GUIPZCNIFDPABQ-UHFFFAOYSA-N
Compound name
2-chloro-2,2-difluoroacetonitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

40
Patents

110.968735 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.97601 110.7
[M+Na]+ 133.95795 122.3
[M-H]- 109.96146 109.8
[M+NH4]+ 129.00256 132.1
[M+K]+ 149.93189 120.5
[M+H-H2O]+ 93.965995 100.2
[M+HCOO]- 155.96694 125.1
[M+CH3COO]- 169.98259 180.0
[M+Na-2H]- 131.94340 118.9
[M]+ 110.96819 104.6
[M]- 110.96928 104.6
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