CID 9537

7-fluoroheptanonitrile

Structural Information

Molecular Formula
C7H12FN
SMILES
C(CCCF)CCC#N
InChI
InChI=1S/C7H12FN/c8-6-4-2-1-3-5-7-9/h1-6H2
InChIKey
CFSMWCPJTYADHU-UHFFFAOYSA-N
Compound name
7-fluoroheptanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

129.09538 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.10266 121.6
[M+Na]+ 152.08460 130.4
[M-H]- 128.08810 121.1
[M+NH4]+ 147.12920 141.8
[M+K]+ 168.05854 129.3
[M+H-H2O]+ 112.09264 109.9
[M+HCOO]- 174.09358 141.0
[M+CH3COO]- 188.10923 187.4
[M+Na-2H]- 150.07005 128.1
[M]+ 129.09483 117.4
[M]- 129.09593 117.4
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