CID 21731012

2,2-difluoropropanenitrile

Structural Information

Molecular Formula
C3H3F2N
SMILES
CC(C#N)(F)F
InChI
InChI=1S/C3H3F2N/c1-3(4,5)2-6/h1H3
InChIKey
RYWQXEUNSACTBO-UHFFFAOYSA-N
Compound name
2,2-difluoropropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

719
Patents

91.02335 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 92.030626 109.6
[M+Na]+ 114.01257 120.0
[M-H]- 90.016074 108.7
[M+NH4]+ 109.05717 131.1
[M+K]+ 129.98651 120.2
[M+H-H2O]+ 74.020610 98.2
[M+HCOO]- 136.02155 127.7
[M+CH3COO]- 150.03720 179.2
[M+Na-2H]- 111.99802 117.7
[M]+ 91.022801 102.3
[M]- 91.023899 102.3
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

patents stripe