CID 2758260

2,6-difluorobenzylisocyanide

Structural Information

Molecular Formula
C8H5F2N
SMILES
[C-]#[N+]CC1=C(C=CC=C1F)F
InChI
InChI=1S/C8H5F2N/c1-11-5-6-7(9)3-2-4-8(6)10/h2-4H,5H2
InChIKey
HJSWWGCPDINLMM-UHFFFAOYSA-N
Compound name
1,3-difluoro-2-(isocyanomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

153.039 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04628 128.2
[M+Na]+ 176.02822 139.3
[M-H]- 152.03172 128.3
[M+NH4]+ 171.07282 146.7
[M+K]+ 192.00216 131.0
[M+H-H2O]+ 136.03626 119.8
[M+HCOO]- 198.03720 146.7
[M+CH3COO]- 212.05285 181.5
[M+Na-2H]- 174.01367 134.8
[M]+ 153.03845 118.2
[M]- 153.03955 118.2
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