CID 88985559

1262665-49-5

Structural Information

Molecular Formula
C10H5BrF9NO
SMILES
C1=C(C=C(C(=C1OC(F)F)N)Br)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C10H5BrF9NO/c11-4-1-3(2-5(6(4)21)22-7(12)13)8(14,9(15,16)17)10(18,19)20/h1-2,7H,21H2
InChIKey
MAVMQOJBPKOBEB-UHFFFAOYSA-N
Compound name
2-bromo-6-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

49
Patents

404.94107 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.94835 184.8
[M+Na]+ 427.93029 197.5
[M-H]- 403.93379 180.3
[M+NH4]+ 422.97489 198.8
[M+K]+ 443.90423 184.2
[M+H-H2O]+ 387.93833 177.4
[M+HCOO]- 449.93927 191.9
[M+CH3COO]- 463.95492 218.4
[M+Na-2H]- 425.91574 184.8
[M]+ 404.94052 189.7
[M]- 404.94162 189.7
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

patents stripe