CID 17750863

21622-18-4

Structural Information

Molecular Formula
C7H3ClF4
SMILES
C1=C(C(=C(C(=C1F)F)F)F)CCl
InChI
InChI=1S/C7H3ClF4/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1H,2H2
InChIKey
PVSKKLFYHHQKFR-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-2,3,4,5-tetrafluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

197.98595 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.99323 127.3
[M+Na]+ 220.97517 140.2
[M-H]- 196.97867 126.8
[M+NH4]+ 216.01977 148.4
[M+K]+ 236.94911 135.2
[M+H-H2O]+ 180.98321 120.1
[M+HCOO]- 242.98415 143.7
[M+CH3COO]- 256.99980 185.0
[M+Na-2H]- 218.96062 131.3
[M]+ 197.98540 125.3
[M]- 197.98650 125.3
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

patents stripe