CID 137698880

4,4-difluoro-3,3-dimethylpentanenitrile

Structural Information

Molecular Formula
C7H11F2N
SMILES
CC(C)(CC#N)C(C)(F)F
InChI
InChI=1S/C7H11F2N/c1-6(2,4-5-10)7(3,8)9/h4H2,1-3H3
InChIKey
ZGIVIBCSVIQEHK-UHFFFAOYSA-N
Compound name
4,4-difluoro-3,3-dimethylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.08595 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.09323 128.9
[M+Na]+ 170.07517 138.1
[M-H]- 146.07867 127.7
[M+NH4]+ 165.11977 148.4
[M+K]+ 186.04911 137.8
[M+H-H2O]+ 130.08321 117.3
[M+HCOO]- 192.08415 144.4
[M+CH3COO]- 206.09980 190.5
[M+Na-2H]- 168.06062 135.3
[M]+ 147.08540 122.3
[M]- 147.08650 122.3
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.