CID 14718800

1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(methoxymethyl)benzene

Structural Information

Molecular Formula
C9H7BrF4O
SMILES
COCC1=C(C(=C(C(=C1F)F)CBr)F)F
InChI
InChI=1S/C9H7BrF4O/c1-15-3-5-8(13)6(11)4(2-10)7(12)9(5)14/h2-3H2,1H3
InChIKey
ZTARHONQZINXLM-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(methoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

285.96164 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.96892 150.8
[M+Na]+ 308.95086 165.7
[M-H]- 284.95436 153.2
[M+NH4]+ 303.99546 171.2
[M+K]+ 324.92480 153.5
[M+H-H2O]+ 268.95890 147.9
[M+HCOO]- 330.95984 168.8
[M+CH3COO]- 344.97549 199.6
[M+Na-2H]- 306.93631 153.8
[M]+ 285.96109 167.6
[M]- 285.96219 167.6
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