CID 81784650

4-fluoro-2-methylphenyl chloroformate

Structural Information

Molecular Formula
C8H6ClFO2
SMILES
CC1=C(C=CC(=C1)F)OC(=O)Cl
InChI
InChI=1S/C8H6ClFO2/c1-5-4-6(10)2-3-7(5)12-8(9)11/h2-4H,1H3
InChIKey
XBUKKOIBVLTCOW-UHFFFAOYSA-N
Compound name
(4-fluoro-2-methylphenyl) carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.00403 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.011306 131.0
[M+Na]+ 210.993248 141.7
[M-H]- 186.996754 134.1
[M+NH4]+ 206.037853 152.1
[M+K]+ 226.967188 138.5
[M+H-H2O]+ 171.001290 125.9
[M+HCOO]- 233.002231 150.1
[M+CH3COO]- 247.017881 180.5
[M+Na-2H]- 208.978696 136.3
[M]+ 188.00348142 133.7
[M]- 188.00457858 133.7
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.