CID 520299

27260-64-6

Structural Information

Molecular Formula
C8H3Cl7
SMILES
C1=CC(=C(C=C1C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C8H3Cl7/c9-6-2-1-4(7(10,11)12)3-5(6)8(13,14)15/h1-3H
InChIKey
OGKCWNMIXCBFQB-UHFFFAOYSA-N
Compound name
1-chloro-2,4-bis(trichloromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

343.80545 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.81273 178.6
[M+Na]+ 366.79467 184.5
[M-H]- 342.79817 172.5
[M+NH4]+ 361.83927 189.1
[M+K]+ 382.76861 181.0
[M+H-H2O]+ 326.80271 175.5
[M+HCOO]- 388.80365 163.4
[M+CH3COO]- 402.81930 210.6
[M+Na-2H]- 364.78012 175.5
[M]+ 343.80490 171.5
[M]- 343.80600 171.5
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