CID 2758258

2,4-difluorobenzylisocyanide

Structural Information

Molecular Formula
C8H5F2N
SMILES
[C-]#[N+]CC1=C(C=C(C=C1)F)F
InChI
InChI=1S/C8H5F2N/c1-11-5-6-2-3-7(9)4-8(6)10/h2-4H,5H2
InChIKey
WHKBUOYYVSYCIJ-UHFFFAOYSA-N
Compound name
2,4-difluoro-1-(isocyanomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

153.039 Da
Monoisotopic Mass

1.8
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

No literature data available for this compound.

Patent stripe

patents stripe